<?xml version="1.0" encoding="UTF-8"?>
<SUMMARY>
<SP_COMM><![CDATA[ Analyses performed for user defined residues.<BR>]]></SP_COMM>

<DISTANCE_CONSTRAINTS>
<TOTAL>793</TOTAL>
<INTRA>157</INTRA>
<SEQUENTIAL>225</SEQUENTIAL>
<MEDIUM>75</MEDIUM>
<LONG>336</LONG>
<NUM_PER_RES>9.2</NUM_PER_RES>
</DISTANCE_CONSTRAINTS>

<HBOND_CONSTRAINTS>
<TOTAL>48</TOTAL>
<LONG>46 </LONG>
</HBOND_CONSTRAINTS>
<DIHEDRAL_CONSTRAINTS>66</DIHEDRAL_CONSTRAINTS>

<TOTAL_CONSTRAINTS_ALL>907</TOTAL_CONSTRAINTS_ALL>

<CONSTRAINTS_PER_RESIDUE_ALL>10.5</CONSTRAINTS_PER_RESIDUE_ALL>
<CONSTRAINTS_PER_RESIDUE_LR>4.4</CONSTRAINTS_PER_RESIDUE_LR>
<STRUCTURES_COMPUTED>currently unknown</STRUCTURES_COMPUTED>
<STRUCTURES_USED>20</STRUCTURES_USED>
<DIST_VIOLATIONS>
<GROUP1>0.4</GROUP1>
<GROUP2>0</GROUP2>
<GROUP3>0</GROUP3>
<RMS_DIST_VIOL>0.01</RMS_DIST_VIOL>
<MAX_DIST_VIOL>0.12</MAX_DIST_VIOL>
</DIST_VIOLATIONS>
<DIHEDRAL_VIOLATIONS>
<GROUP1>0</GROUP1>
<GROUP2>0</GROUP2>
<RMS_DIHEDRAL_VIOL>0.03</RMS_DIHEDRAL_VIOL>
<MAX_DIHEDRAL_VIOL>0.50</MAX_DIHEDRAL_VIOL>
</DIHEDRAL_VIOLATIONS>
<RPF>
<RECALL>0.955</RECALL><PRECISION>0.864</PRECISION><F_MEASURE>0.907</F_MEASURE><DP_SCORE>0.834</DP_SCORE>
</RPF>
<RMSD>
<ALL>
<BACKBONE_ATOMS>2.0</BACKBONE_ATOMS>
<HEAVY_ATOMS>2.4</HEAVY_ATOMS>
</ALL>
<ORDERED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</ORDERED>
<SELECTED>
<BACKBONE_ATOMS>0.6</BACKBONE_ATOMS>
<HEAVY_ATOMS>1.1</HEAVY_ATOMS>
</SELECTED>
</RMSD>
<QFACTORS>
<MEAN_SCORE>
<PROCHECK_G_PHI_PSI>-0.69</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-0.41</PROCHECK_G_ALL>
<VERIFY3D>0.38</VERIFY3D>
<PROSAII_NEG>0.45</PROSAII_NEG>
<MAGE_CLASH>18.20
</MAGE_CLASH>
</MEAN_SCORE>
<STD_DEVIATION>
<PROCHECK_G_PHI_PSI>N/A</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>N/A</PROCHECK_G_ALL>
<VERIFY3D>0.0283</VERIFY3D>
<PROSAII_NEG>0.0553</PROSAII_NEG>
<MAGE_CLASH>1.9298
</MAGE_CLASH>
</STD_DEVIATION>
<ZSCORE>
<PROCHECK_G_PHI_PSI>-2.40</PROCHECK_G_PHI_PSI>
<PROCHECK_G_ALL>-2.42</PROCHECK_G_ALL>
<VERIFY3D>-1.28</VERIFY3D>
<PROSAII_NEG>-0.83</PROSAII_NEG>
<MAGE_CLASH>-1.60
</MAGE_CLASH>
</ZSCORE>
</QFACTORS>
<GLM_RMSD>1.68
</GLM_RMSD>
<RAMACHANDRAN>
<MOST_FAVORED>91.1%</MOST_FAVORED>
<ADDID_ALLOWED>8.9%</ADDID_ALLOWED>
<GEN_ALLOWED>0.0%</GEN_ALLOWED>
<DISALLOWED>0.0%</DISALLOWED>
</RAMACHANDRAN>
<MOLRAMA>
<MOST_FAVORED>96.5%</MOST_FAVORED>
<ALLOWED>2.4%</ALLOWED>
<DISALLOWED>1.1%</DISALLOWED>
</MOLRAMA>
<CONS_VIO_OPT>sum over r^-6</CONS_VIO_OPT>
<ORD_RES>9A-17A,24A-42A,45A-55A,59A-72A,75A-91A</ORD_RES>
<SEL_RES_DESC>User defined residues</SEL_RES_DESC>
<SEL_RES>9A-17A,24A-42A,45A-55A,59A-72A,75A-91A</SEL_RES>

</SUMMARY>
